2-[4-chloro-3-(difluoromethoxy)phenyl]acetate

C9H6ClF2O3- — CID 131738240

IUPAC2-[4-chloro-3-(difluoromethoxy)phenyl]acetate
SMILESO=C([O-])Cc1ccc(Cl)c(OC(F)F)c1
InChIInChI=1S/C9H7ClF2O3/c10-6-2-1-5(4-8(13)14)3-7(6)15-9(11)12/h1-3,9H,4H2,(H,13,14)/p-1
InChIKeyUVHFRJPDJVRABV-UHFFFAOYSA-M
MW235.59 g/mol
LogP1.23
Rot. Bonds4

About 2-[4-chloro-3-(difluoromethoxy)phenyl]acetate

2-[4-chloro-3-(difluoromethoxy)phenyl]acetate (PubChem CID 131738240) has the molecular formula C9H6ClF2O3- and a molecular weight of 235.59 g/mol. Its IUPAC name is 2-[4-chloro-3-(difluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Name2-[4-chloro-3-(difluoromethoxy)phenyl]acetate
PubChem CID131738240
Molecular FormulaC9H6ClF2O3-
Molecular Weight235.59 g/mol
Exact Mass235.00
IUPAC Name2-[4-chloro-3-(difluoromethoxy)phenyl]acetate
SMILESO=C([O-])Cc1ccc(Cl)c(OC(F)F)c1
InChIInChI=1S/C9H7ClF2O3/c10-6-2-1-5(4-8(13)14)3-7(6)15-9(11)12/h1-3,9H,4H2,(H,13,14)/p-1
InChIKeyUVHFRJPDJVRABV-UHFFFAOYSA-M
XLogP1.23
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.59
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate
CID 171028412
1-bromo-3-[4-(chloromethyl)-3-(difluoromethoxy)phenyl]propan-2-one
CID 134624879
1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one
CID 134616422
2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone
CID 115736583
1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 118835915
N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide
CID 86805225
2-[2-(difluoromethoxy)-5-(2-oxopropyl)phenyl]acetic acid
CID 118809070
4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine
CID 46317964
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724605
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid
CID 171000608
2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid
CID 119004607

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(difluoromethoxy)phenyl]acetate?
The IUPAC name of 2-[4-chloro-3-(difluoromethoxy)phenyl]acetate (CID 131738240) is 2-[4-chloro-3-(difluoromethoxy)phenyl]acetate.
What is the SMILES notation for 2-[4-chloro-3-(difluoromethoxy)phenyl]acetate?
The canonical SMILES for 2-[4-chloro-3-(difluoromethoxy)phenyl]acetate is O=C([O-])Cc1ccc(Cl)c(OC(F)F)c1.
What is the InChIKey of 2-[4-chloro-3-(difluoromethoxy)phenyl]acetate?
The InChIKey is UVHFRJPDJVRABV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7ClF2O3/c10-6-2-1-5(4-8(13)14)3-7(6)15-9(11)12/h1-3,9H,4H2,(H,13,14)/p-1.
What are the key properties of 2-[4-chloro-3-(difluoromethoxy)phenyl]acetate?
2-[4-chloro-3-(difluoromethoxy)phenyl]acetate has a molecular weight of 235.59 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(difluoromethoxy)phenyl]acetate is sourced from PubChem (CID 131738240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).